| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:05 UTC |
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| Update Date | 2025-03-21 18:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132033 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C7H12N4O |
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| Molecular Mass | 168.1011 |
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| SMILES | NC(=O)CC(N)Cc1c[nH]cn1 |
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| InChI Key | SWQNSDHAVQOHKO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundfatty amidecarboxamide groupbeta amino acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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